Chemical Properties of «delta»-Tocopherol (CAS 119-13-1)

«delta»-Tocopherol

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3
InChI Key
GZIFEOYASATJEH-UHFFFAOYSA-N
Formula
C27H46O2
SMILES
Cc1cc(O)cc2c1OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2
Molecular Weight1
402.65
CAS
119-13-1
Other Names
  • (R)-2,8-Dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
  • 2,8-Dimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
  • 3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
  • 8-Methyltocol
  • [2R[2R*(4R*,8R*)]]-3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
Sources

Physical Properties

Property Value Unit Source
Δf 64.71 kJ/mol Joback Calculated Property
Δfgas -630.29 kJ/mol Joback Calculated Property
Δfus 51.88 kJ/mol Joback Calculated Property
Δvap 94.59 kJ/mol Joback Calculated Property
logPoct/wat 8.22 Crippen Calculated Property
Pc 1011.02 kPa Joback Calculated Property
Tboil 971.30 K Joback Calculated Property
Tc 1192.37 K Joback Calculated Property
Tfus 577.12 K Joback Calculated Property
Vc 1.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1299.97 J/mol×K 971.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (ring) 1
=CH- (ring) 2
=C< (ring) 4
-CH2- 9
>C< (ring) 1
-CH3 6
-OH (phenol) 1
-CH2- (ring) 2

Similar Compounds

Tocol, 8-methyl. «delta»-Tocopherol, O-methyl-. (R)-6-Methoxy-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman. Tocol. «gamma»-Tocopherol. Tocol, 7,8-dimethyl. .delta.-Tocopherol, O-acetyl-. (+)-«gamma»-Tocopherol, O-methyl-. 6-Methoxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman. 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-. Oligandrol. Tocol, 5,8-dimethyl. «beta»-Tocopherol. Tocol, 7-methyl. Tocopherol-«delta»-tms-derivative (high mass adjustment=100%).

Find more compounds similar to «delta»-Tocopherol.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.